Hydrochloric Acid → Hydrochloric Acid

HRID 1215298Notes

Reaction equation

HRID 1215298 reaction equation
[BH4-:49].[CH3:51][OH:52].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[CH:37]([O:38][CH3:39])([O:40][CH3:41])[O:42][CH3:43].[CH:44]([CH:45]([CH3:46])[CH3:47])=[O:48].[ClH:1].[NH2:2][CH:3]1[CH2:4][N:5]([c:9]2[c:10]3[c:11]([n:12][cH:13][c:14]2[Br:15])[nH:16][cH:17][c:18]3[NH:19][C:20]([c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)=[O:27])[CH2:6][CH2:7][CH2:8]1.[Na+:50].[OH2:53]>>[ClH:1].[NH:2]([CH:3]1[CH2:4][N:5]([c:9]2[c:10]3[c:11]([n:12][cH:13][c:14]2[Br:15])[nH:16][cH:17][c:18]3[NH:19][C:20]([c:21]2[cH:22][n:23][cH:24][cH:25][cH:26]2)=[O:27])[CH2:6][CH2:7][CH2:8]1)[CH2:44][CH:45]([CH3:46])[CH3:47]

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6561IsobutyraldehydeHCID 9005Trimethyl orthoformateHCID 28123BorohydrideHCID 81531DiisopropylethylamineHCID 44468331HCID 44468331, compound

Product 2

HCID 313Hydrochloric AcidHCID 60205423HCID 60205423, compound

Sources & evidence

ORD record
ord-031141117a9a40b5ac04b9bc00f30ec9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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